Compound 0449-0002
HIT211253970
sdf文件结构编辑类似物检索
HIT ID: HIT211253970
Cas No:
分子式: C34H50O13
分子量: 666.761
常用名: Compound 0449-0002
氢键受体数 (HBA): 15
氢键供体数 (HBD): 6
LogP: -0.9937
IUPAC: (3bR,9bS)-3a,5a-dihydroxy-7-({4-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
IUPAC: (3bR,9bS)-3a,5a-dihydroxy-7-({4-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
SMILES: [H][C@@]12CCC3(O)CC(CCC3(C=O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1)OC1CC(O)C(OC2OCC(O)C(O)C2O)C(C)O1 |t:28|
SMILES: [H][C@@]12CCC3(O)CC(CCC3(C=O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1)OC1CC(O)C(OC2OCC(O)C(O)C2O)C(C)O1 |t:28|
InChI key: GPMRZMZJGUPWPZ-PZYNOMBBSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
待询点击询价
ChemDiv
SC
6602-3周 购物车
Mcule
SC
11804-5周 购物车
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